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January 28, 2026
C2H6O
Datos Químicos de C2H6O
ID
15
Molecular Formula
C2H6O
Elemental Composition %
C: 22.2222222222222%
H: 66.6666666666667%
O: 11.1111111111111%
N: 0%
Weight
46.0686
Programa de Cálculo
G16
SMILES
COC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H6O/c1-3-2/h1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LCGLNKUTAGEVQW-UHFFFAOYSA-N